UCSF

ZINC44609217

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 16 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.68 4.39 -33.85 3 3 1 43 258.436 6
Mid Mid (pH 6-8) 0.68 3.85 -10.83 2 3 0 42 257.428 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )